Information card for entry 4116378

Structure parameters

• Formula: C34 H36 Cu F6 N4 P
• Calculated formula: C34 H36 Cu F6 N4 P
• SMILES: [Cu]12([n]3c(ccc4c3c3[n]1c(ccc3cc4)C)C)[n]1c(ccc3c1c1[n]2c(ccc1cc3)C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A Highly Emissive Heteroleptic Copper(I) Bis(phenanthroline) Complex: [Cu(dbp)(dmp)]+ (dbp = 2,9-Di-tert-butyl-1,10-phenanthroline; dmp = 2,9-Dimethyl-1,10-phenanthroline)
• Authors of publication: Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 4292 - 4293
• a: 15.489 ± 0.007 Å
• b: 11.983 ± 0.007 Å
• c: 18.102 ± 0.013 Å
• α: 90°
• β: 91.23 ± 0.05°
• γ: 90°
• Cell volume: 3359 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections: 0.1901
• Weighted residual factors for significantly intense reflections: 0.1662
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No